CS-0170108
4,4',4''-((1S,3S,5S)-Adamantane-1,3,5-triyl)tribenzoic acid
Manufacturer: ChemScene
CAS Number: 160517-35-1
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₃₁H₂₈O₆
Molecular Weight
496.55
Synonyms
None
SMILES
O=C(O)C1=CC=C([C@]23C[C@@]4(C5=CC=C(C=C5)C(O)=O)C[C@](C3)(C6=CC=C(C=C6)C(O)=O)CC(C4)C2)C=C1
Tpsa
111.9
Logp
5.8926
H Acceptors
3
H Donors
3
Rotatable Bonds
6
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SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₁H₂₈O₆
Molecular Weight: 496.55
Synonyms: None
SMILES: O=C(O)C1=CC=C([C@]23C[C@@]4(C5=CC=C(C=C5)C(O)=O)C[C@](C3)(C6=CC=C(C=C6)C(O)=O)CC(C4)C2)C=C1
Tpsa: 111.9
Logp: 5.8926
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₁H₂₈O₆
Molecular Weight:
496.55
Synonyms:
None
SMILES:
O=C(O)C1=CC=C([C@]23C[C@@]4(C5=CC=C(C=C5)C(O)=O)C[C@](C3)(C6=CC=C(C=C6)C(O)=O)CC(C4)C2)C=C1
Tpsa:
111.9
Logp:
5.8926
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₃H₃₉BO₆
Molecular Weight: 542.47
Synonyms: Tris-(4-Carboxyl-2,3,5,6-tetramethyl)phenylborane
SMILES: O=C(O)C1=C(C)C(C)=C(B(C2=C(C)C(C)=C(C(C)=C2C)C(O)=O)C3=C(C)C(C)=C(C(C)=C3C)C(O)=O)C(C)=C1C
Tpsa: 111.9
Logp: 4.99844
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₃H₃₉BO₆
Molecular Weight:
542.47
Synonyms:
Tris-(4-Carboxyl-2,3,5,6-tetramethyl)phenylborane
SMILES:
O=C(O)C1=C(C)C(C)=C(B(C2=C(C)C(C)=C(C(C)=C2C)C(O)=O)C3=C(C)C(C)=C(C(C)=C3C)C(O)=O)C(C)=C1C
Tpsa:
111.9
Logp:
4.99844
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆₀H₃₆O₁₂
Molecular Weight: 948.92
Synonyms: None
SMILES: O=C(O)C1=CC=C(C2=C(C3=CC=C(C=C3)C(O)=O)C=C4C5=CC(C6=CC=C(C=C6)C(O)=O)=C(C7=CC=C(C=C7)C(O)=O)C=C5C8=CC(C9=CC=C(C=C9)C(O)=O)=C(C%10=CC=C(C=C%10)C(O)=O)C=C8C4=C2)C=C1
Tpsa: 223.8
Logp: 13.3374
H Acceptors: 6
H Donors: 6
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆₀H₃₆O₁₂
Molecular Weight:
948.92
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(C2=C(C3=CC=C(C=C3)C(O)=O)C=C4C5=CC(C6=CC=C(C=C6)C(O)=O)=C(C7=CC=C(C=C7)C(O)=O)C=C5C8=CC(C9=CC=C(C=C9)C(O)=O)=C(C%10=CC=C(C=C%10)C(O)=O)C=C8C4=C2)C=C1
Tpsa:
223.8
Logp:
13.3374
H Acceptors:
6
H Donors:
6
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₄H₃₀N₄O₈
Molecular Weight: 742.73
Synonyms: None
SMILES: O=C(O)C1=CC=C(C2=C(C3=C45)C=CC5=C(C6=CC=C(C=C6N)C(O)=O)C=C(C7=CC=C(C=C7N)C(O)=O)C4=CC=C3C(C8=CC=C(C=C8N)C(O)=O)=C2)C(N)=C1
Tpsa: 253.28
Logp: 8.3736
H Acceptors: 8
H Donors: 8
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₄H₃₀N₄O₈
Molecular Weight:
742.73
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(C2=C(C3=C45)C=CC5=C(C6=CC=C(C=C6N)C(O)=O)C=C(C7=CC=C(C=C7N)C(O)=O)C4=CC=C3C(C8=CC=C(C=C8N)C(O)=O)=C2)C(N)=C1
Tpsa:
253.28
Logp:
8.3736
H Acceptors:
8
H Donors:
8
Rotatable Bonds:
8